ChemSpider 2D Image | 2-(3,7-Dihydroxydibenzo[b,f][1,4]oxazepin-11-yl)benzoic acid | C20H13NO5

2-(3,7-Dihydroxydibenzo[b,f][1,4]oxazepin-11-yl)benzoic acid

  • Molecular FormulaC20H13NO5
  • Average mass347.321 Da
  • Monoisotopic mass347.079376 Da
  • ChemSpider ID17754199

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

13606-02-5 [RN]
2-(3,7-Dihydroxydibenzo[b,f][1,4]oxazepin-11-yl)benzoesäure [German] [ACD/IUPAC Name]
2-(3,7-Dihydroxydibenzo[b,f][1,4]oxazepin-11-yl)benzoic acid [ACD/IUPAC Name]
2-{5,14-dihydroxy-2-oxa-9-azatricyclo[9.4.0.0³,?]pentadeca-1(15),3,5,7,9,11,13-heptaen-10-yl}benzoic acid
Acide 2-(3,7-dihydroxydibenzo[b,f][1,4]oxazépin-11-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-(3,7-dihydroxydibenz[b,f][1,4]oxazepin-11-yl)- [ACD/Index Name]
2-(3,7-Dihydroxy-dibenzo[b,f][1,4]oxazepin-11-yl)-
2-(3,7-Dihydroxy-dibenzo[b,f][1,4]oxazepin-11-yl)-benzoic acid
2-(3,7-dihydroxy-dibenzo[b,f][1,4]oxazepin-11-yl)-benzoicacid
2-(3,7-dihydroxydibenzo[b,f]1,4-oxazepin-11-yl)benzoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD01366855 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 612.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 324.0±31.5 °C
Index of Refraction: 1.693
Molar Refractivity: 92.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 2.46
ACD/KOC (pH 5.5): 17.37
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.49
Polar Surface Area: 99 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 240.7±7.0 cm3

Click to predict properties on the Chemicalize site


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